N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine

C12H21N5O — CID 107403222

IUPACN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCCN(CC1CCC1)c1ncnc(NN)c1OC
InChIInChI=1S/C12H21N5O/c1-3-17(7-9-5-4-6-9)12-10(18-2)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyZDEJHUJFERQJCU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.40
Rot. Bonds6

About N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine

N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine (PubChem CID 107403222) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine
PubChem CID107403222
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine
SMILESCCN(CC1CCC1)c1ncnc(NN)c1OC
InChIInChI=1S/C12H21N5O/c1-3-17(7-9-5-4-6-9)12-10(18-2)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyZDEJHUJFERQJCU-UHFFFAOYSA-N
XLogP1.40
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-N-ethyl-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80913297
2-[cyclobutyl-(6-hydrazinyl-5-methoxypyrimidin-4-yl)amino]ethanol
CID 102875852
4-N-(cyclopropylmethyl)-4-N-ethyl-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80839740
N-(cyclopropylmethyl)-5-ethyl-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80899182
6-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)-5-propylpyrimidin-4-amine
CID 80910226
2-N-(cyclobutylmethyl)-2-N-ethylpyrazine-2,5-diamine
CID 107402995
2-N-(cyclobutylmethyl)-2-N-ethyl-4,5-dimethoxybenzene-1,2-diamine
CID 107397091
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
CID 86946189
5-[(6-hydrazinyl-5-methoxypyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107207623
6-hydrazinyl-5-methoxy-N-(3-methylcyclopentyl)pyrimidin-4-amine
CID 114542288
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine (CID 107403222) is N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine is CCN(CC1CCC1)c1ncnc(NN)c1OC.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine?
The InChIKey is ZDEJHUJFERQJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-17(7-9-5-4-6-9)12-10(18-2)11(16-13)14-8-15-12/h8-9H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine?
N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-6-hydrazinyl-5-methoxypyrimidin-4-amine is sourced from PubChem (CID 107403222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).